data_global
_amcsd_formula_title 'K6HgS4'
loop_
_publ_author_name
'Sommer H'
'Hoppe R'
'Jansen M'
_journal_name_full 'Die Naturwissenschaften'
_journal_volume 63 
_journal_year 1976
_journal_page_first 194
_journal_page_last 195
_publ_section_title
;
 Das erste thiomercurat(II) mit inselstruktur: K6(HgS4)
;
_database_code_amcsd 0012433
_chemical_formula_sum 'K6 Hg S4'
_cell_length_a 9.98
_cell_length_b 9.98
_cell_length_c 7.64
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 658.999
_exptl_crystal_density_diffrn      2.840
_symmetry_space_group_name_H-M 'P 63 m c'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-x,-x+y,1/2+z'
  'x-y,x,1/2+z'
  '-y,-x,z'
  '-y,x-y,z'
  'x-y,-y,1/2+z'
  '-x,-y,1/2+z'
  'x,x-y,z'
  '-x+y,-x,z'
  'y,x,1/2+z'
  'y,-x+y,1/2+z'
  '-x+y,y,z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
K1   0.14700   0.29400   0.79700
K2   0.52800   0.05600   0.62500
Hg   0.33333   0.66667   0.50100
S1   0.33333   0.66667   0.83300
S2   0.80900   0.61800   0.89600
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
K1 0.04840 0.04840 0.04840 0.04870 0.00000 0.00000
K2 0.02960 0.02960 0.02960 0.00660 0.00000 0.00000
Hg 0.01760 0.01760 0.01760 0.00880 0.00000 0.00000
S1 0.01060 0.01060 0.01070 0.00530 0.00000 0.00000
S2 0.01540 0.01540 0.01540 0.00720 0.00000 0.00000